2-[3-[3-(3-ethoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline

C24H22N4O — CID 58546816

IUPAC2-[3-[3-(3-ethoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCCOc1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1
InChIInChI=1S/C24H22N4O/c1-2-29-20-8-5-7-18(14-20)23-24(26-13-12-25-23)19-15-28(16-19)22-11-10-17-6-3-4-9-21(17)27-22/h3-14,19H,2,15-16H2,1H3
InChIKeyXLOFPEOSUCLBOZ-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.69
Rot. Bonds5

About 2-[3-[3-(3-ethoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline

2-[3-[3-(3-ethoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline (PubChem CID 58546816) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-[3-[3-(3-ethoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-[3-(3-ethoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
PubChem CID58546816
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name2-[3-[3-(3-ethoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCCOc1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1
InChIInChI=1S/C24H22N4O/c1-2-29-20-8-5-7-18(14-20)23-24(26-13-12-25-23)19-15-28(16-19)22-11-10-17-6-3-4-9-21(17)27-22/h3-14,19H,2,15-16H2,1H3
InChIKeyXLOFPEOSUCLBOZ-UHFFFAOYSA-N
XLogP4.69
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[1-[(1-Methylimidazol-2-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 50997767
4-[4-(4-Methoxyphenyl)piperazin-1-Yl]-2-(Pyridin-2-Yl)quinazoline
CID 58279815
2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[3,2-d]pyrimidine
CID 134611709
2-[4-(2-Methyl-5-pyridin-4-yl-pyrimidin-4-yl)-phenoxymethyl]-quinoline
CID 11495114
9-Methoxy-8-(2-methoxyethoxy)-2-(4-phenyl-1H-imidazol-1-yl)benzo[c]-2,7-naphthyridin-4-amine
CID 44236915
N-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]propyl]-4-pyridin-2-ylpiperazine-1-carboxamide;hydrochloride
CID 49860631
7-(2-Ethoxy-5-pyridin-3-ylphenyl)quinazoline-2,4-diamine
CID 56679775
1-[(3-Methoxyphenyl)methyl]-4-(4-methoxypiperidin-1-yl)pyrrolo[3,2-c]quinoline
CID 168278046
4-(3-Methylphenoxy)-2-pyridin-2-ylquinazoline
CID 930112
8-ethoxy-4-(4-pyridin-2-ylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole
CID 663751
1-[3-(Benzyloxy)benzyl]-4-(2-pyridinyl)piperazine
CID 1378308
N2-(3-methoxyphenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 9902671

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3-ethoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The IUPAC name of 2-[3-[3-(3-ethoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline (CID 58546816) is 2-[3-[3-(3-ethoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-[3-(3-ethoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-[3-(3-ethoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline is CCOc1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1.
What is the InChIKey of 2-[3-[3-(3-ethoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The InChIKey is XLOFPEOSUCLBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-2-29-20-8-5-7-18(14-20)23-24(26-13-12-25-23)19-15-28(16-19)22-11-10-17-6-3-4-9-21(17)27-22/h3-14,19H,2,15-16H2,1H3.
What are the key properties of 2-[3-[3-(3-ethoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
2-[3-[3-(3-ethoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline has a molecular weight of 382.47 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3-ethoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline is sourced from PubChem (CID 58546816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).